BALL::NMRAtomData Struct Reference
[NMR File Formats]

#include <BALL/FORMAT/NMRStarFile.h.BASE.23414.h>

List of all members.

Public Member Functions
	NMRAtomData ()
	NMRAtomData ()
Public Attributes
Position	atom_ID
Position	residue_seq_code
String	residue_label
String	atom_name
char	atom_type
float	shift_value
float	error_value
Position	ambiguity_code

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Detailed Description

name Data classes and structures. These classes represent the data extracted from NMR-Star-Files. NMRAtomData This structure includes all information for one atom delivered by a NMR-Star-File. All members are public for easy access.

Definition at line 29 of file NMRStarFile.h.BASE.23414.h.

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Constructor & Destructor Documentation

BALL::NMRAtomData::NMRAtomData

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BALL::NMRAtomData::NMRAtomData

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Member Data Documentation

Position BALL::NMRAtomData::ambiguity_code

Definition at line 40 of file NMRStarFile.h.BASE.23414.h.

Position BALL::NMRAtomData::atom_ID

Definition at line 33 of file NMRStarFile.h.BASE.23414.h.

String BALL::NMRAtomData::atom_name

Definition at line 36 of file NMRStarFile.h.BASE.23414.h.

char BALL::NMRAtomData::atom_type

Definition at line 37 of file NMRStarFile.h.BASE.23414.h.

float BALL::NMRAtomData::error_value

Definition at line 39 of file NMRStarFile.h.BASE.23414.h.

String BALL::NMRAtomData::residue_label

Definition at line 35 of file NMRStarFile.h.BASE.23414.h.

Position BALL::NMRAtomData::residue_seq_code

Definition at line 34 of file NMRStarFile.h.BASE.23414.h.

float BALL::NMRAtomData::shift_value

Definition at line 38 of file NMRStarFile.h.BASE.23414.h.